Geometry & MOs

Info

ID:	132480
PubChem CID:	51368398
Reduced:	ClO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	416.055481
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	3.2
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-6-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(O1)C2=CC(=C(C=C2)C)Cl

DOS

IR

Vibrations